CID 453936

2am-8me-10pr-dboa-11one

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CCCN1C2=C(C=CC(=C2)C)OC3=C(C1=O)C=C(C=C3)N
InChI
InChI=1S/C17H18N2O2/c1-3-8-19-14-9-11(2)4-6-16(14)21-15-7-5-12(18)10-13(15)17(19)20/h4-7,9-10H,3,8,18H2,1-2H3
InChIKey
ACGGRJFZQSYLRR-UHFFFAOYSA-N
Compound name
8-amino-3-methyl-5-propylbenzo[b][1,4]benzoxazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 164.9
[M+Na]+ 305.12606 173.6
[M-H]- 281.12956 171.1
[M+NH4]+ 300.17066 179.8
[M+K]+ 321.10000 174.4
[M+H-H2O]+ 265.13410 158.3
[M+HCOO]- 327.13504 183.3
[M+CH3COO]- 341.15069 176.5
[M+Na-2H]- 303.11151 170.3
[M]+ 282.13629 164.3
[M]- 282.13739 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.